ethyl 5-ethanoyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[(E)-3-p-phenetylacryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C21H23NO5S/c1-5-26-16-10-7-15(8-11-16)9-12-17(24)22-20-18(21(25)27-6-2)13(3)19(28-20)14(4)23/h7-12H,5-6H2,1-4H3,(H,22,24)/b12-9+